3-[2-[methyl-[(3Z)-penta-1,3-dien-2-yl]amino]ethylamino]propan-1-ol

C11H22N2O — CID 142250726

IUPAC3-[2-[methyl-[(3Z)-penta-1,3-dien-2-yl]amino]ethylamino]propan-1-ol
SMILESC=C(/C=C\C)N(C)CCNCCCO
InChIInChI=1S/C11H22N2O/c1-4-6-11(2)13(3)9-8-12-7-5-10-14/h4,6,12,14H,2,5,7-10H2,1,3H3/b6-4-
InChIKeyODQJXDGRUAUYJO-XQRVVYSFSA-N
MW198.31 g/mol
LogP0.98
Rot. Bonds8

About 3-[2-[methyl-[(3Z)-penta-1,3-dien-2-yl]amino]ethylamino]propan-1-ol

3-[2-[methyl-[(3Z)-penta-1,3-dien-2-yl]amino]ethylamino]propan-1-ol (PubChem CID 142250726) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-[2-[methyl-[(3Z)-penta-1,3-dien-2-yl]amino]ethylamino]propan-1-ol.

Molecular Properties

Compound Name3-[2-[methyl-[(3Z)-penta-1,3-dien-2-yl]amino]ethylamino]propan-1-ol
PubChem CID142250726
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-[2-[methyl-[(3Z)-penta-1,3-dien-2-yl]amino]ethylamino]propan-1-ol
SMILESC=C(/C=C\C)N(C)CCNCCCO
InChIInChI=1S/C11H22N2O/c1-4-6-11(2)13(3)9-8-12-7-5-10-14/h4,6,12,14H,2,5,7-10H2,1,3H3/b6-4-
InChIKeyODQJXDGRUAUYJO-XQRVVYSFSA-N
XLogP0.98
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-4-amino-2-methyl-1-[2-(methylamino)ethylamino]hepta-2,4,6-trien-1-ol
CID 89398987
2-[methyl-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]amino]ethanol
CID 142382711
3-[methyl-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]amino]propan-1-ol
CID 142904820
ethane;ethenol;(1E)-3-[2-(methylamino)ethylamino]buta-1,3-dien-1-ol
CID 144546746
3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]propan-1-ol
CID 144592542
3-[2-(Methylamino)ethyl-prop-2-enylamino]propan-1-ol
CID 155323904
4-[[(3Z)-5-aminohexa-1,3,5-trien-2-yl]-methylamino]butan-2-ol
CID 155721816
3-[Methyl-[3-(methylamino)but-1-en-2-yl]amino]propan-1-ol
CID 163750674
3-[3-(3-Aminopropylamino)prop-1-en-2-ylamino]propan-1-ol
CID 166689306
2-[ethyl-[(2E,4Z)-6-(methylamino)hexa-2,4-dien-3-yl]amino]ethanol
CID 171624097
2-[4-[4-[(3Z)-penta-1,3-dien-2-yl]piperazin-1-yl]butylamino]ethanol
CID 172590096

Frequently Asked Questions

What is the IUPAC name of 3-[2-[methyl-[(3Z)-penta-1,3-dien-2-yl]amino]ethylamino]propan-1-ol?
The IUPAC name of 3-[2-[methyl-[(3Z)-penta-1,3-dien-2-yl]amino]ethylamino]propan-1-ol (CID 142250726) is 3-[2-[methyl-[(3Z)-penta-1,3-dien-2-yl]amino]ethylamino]propan-1-ol.
What is the SMILES notation for 3-[2-[methyl-[(3Z)-penta-1,3-dien-2-yl]amino]ethylamino]propan-1-ol?
The canonical SMILES for 3-[2-[methyl-[(3Z)-penta-1,3-dien-2-yl]amino]ethylamino]propan-1-ol is C=C(/C=C\C)N(C)CCNCCCO.
What is the InChIKey of 3-[2-[methyl-[(3Z)-penta-1,3-dien-2-yl]amino]ethylamino]propan-1-ol?
The InChIKey is ODQJXDGRUAUYJO-XQRVVYSFSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-6-11(2)13(3)9-8-12-7-5-10-14/h4,6,12,14H,2,5,7-10H2,1,3H3/b6-4-.
What are the key properties of 3-[2-[methyl-[(3Z)-penta-1,3-dien-2-yl]amino]ethylamino]propan-1-ol?
3-[2-[methyl-[(3Z)-penta-1,3-dien-2-yl]amino]ethylamino]propan-1-ol has a molecular weight of 198.31 g/mol, XLogP of 0.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[methyl-[(3Z)-penta-1,3-dien-2-yl]amino]ethylamino]propan-1-ol is sourced from PubChem (CID 142250726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).